SCHEMBL4090969

SCHEMBL4090969

CC(C)(C)OC(=O)NNCc1cc(Br)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.45
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
HIF1A Q16665 1/20 0.42
ANO1 Q5XXA6 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
AAK1 Q2M2I8 6/20 0.40
GAA P10253 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20869031 0.86 EGFR (0.44) EGFRNPC1RECQLRAB9ASMN1; SMN2
SCHEMBL30101760 0.86 EGFR (0.44) EGFRNPC1RECQLRAB9ASMN1; SMN2
SCHEMBL248758 0.84 GAA (0.48) EGFRSMN1; SMN2ALDH1A1CYP3A4HIF1A
SCHEMBL31047861 0.83 AAK1 (0.48) NPC1RECQLRAB9ASMN1; SMN2AAK1
SCHEMBL9971024 0.83 AAK1 (0.48) NPC1RECQLRAB9ASMN1; SMN2AAK1
SCHEMBL15050032 0.82 EGFR (0.44) EGFRANO1
SCHEMBL14564600 0.80 TSHR (0.44) EGFRNPC1RAB9AHIF1ACA12
SCHEMBL9971059 0.80 GAA (0.51) NPC1RECQLRAB9ASMN1; SMN2ALDH1A1
SCHEMBL21847323 0.76 NAMPT (0.40) EGFRNPC1RAB9ACYP3A4GAA
SCHEMBL19201249 0.75 KDM4A (0.44) NPC1RECQLRAB9ASMN1; SMN2AAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797893-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2014-11-05 EP claimed
WO-2013101598-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2013-07-04 WO claimed
EP-2797893-B1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN INC (US) 2017-11-22 EP disclosed
EP-2797893-B1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN INC (US) 2017-11-22 EP disclosed
US-9522890-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response ALLERGAN, INC. (US) 2016-12-20 US disclosed
US-9522890-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response ALLERGAN, INC. (US) 2016-12-20 US disclosed
US-20160068491-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. 2016-03-10 US disclosed
US-20160068491-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. 2016-03-10 US disclosed
EP-2966064-A1 PYRAZOLE-3-CARBOXYLIC ACID COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2016-01-13 EP disclosed
EP-2966064-A1 PYRAZOLE-3-CARBOXYLIC ACID COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2016-01-13 EP disclosed
US-9090566-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response ALLERGAN, INC. (US) 2015-07-28 US disclosed
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 US disclosed
EP-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
EP-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
EP-1874303-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
WO-2006114313-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-11-02 WO disclosed
EP-1675832-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005040128-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-05-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS PTGER1, PTGDR, PTGIR EGFR 1217/4885NPC1 3127/4885RECQL 1566/4885
US-20160068491-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS PTGER4, PTGER1, GRK4 EGFR 82/4885NPC1 3468/4885RECQL 3399/4885
US-20070060596-A1 Heterocyclyl compounds F9, F12, CYP2C9 EGFR 1573/4885NPC1 1605/4885RECQL 206/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.